Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1B | P28222 | 2/20 | 0.60 |
| ▸ | HTR1D | P28221 | 1/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 1/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL9974664 | 0.82 | HTR1B (0.62) | HTR1BHTR1DL3MBTL1CHRNB2CHRNA4 | |
| SCHEMBL14168915 | 0.81 | APP (0.44) | — | |
| SCHEMBL26126465 | 0.81 | HTR1B (0.60) | HTR1BHTR1DL3MBTL1CHRNB2CHRNA4 | |
| SCHEMBL9124449 | 0.81 | HTR1B (0.60) | HTR1BHTR1DL3MBTL1CHRNB2CHRNA4 | |
| SCHEMBL10895841 | 0.79 | ALDH1A1 (0.64) | HTR1BHTR1DL3MBTL1CHRNB2CHRNA4 | |
| SCHEMBL20251326 | 0.79 | L3MBTL1 (0.81) | HTR1BHTR1DL3MBTL1HTT | |
| SCHEMBL9705878 | 0.79 | KCNA3 (0.50) | L3MBTL1 | |
| SCHEMBL2470398 | 0.78 | DRD2 (0.68) | HTR1BHTR1DL3MBTL1CHRNB2CHRNA4 | |
| SCHEMBL2468934 | 0.78 | HTR1B (0.67) | HTR1BHTR1DL3MBTL1CHRNB2CHRNA4 | |
| SCHEMBL15086546 | 0.78 | LMNA (0.53) | L3MBTL1ALDH1A1KDM4ELMNAMEN1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017197488-A1 | LIBRARIES OF DIVERSE MACROCYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME | CYCLENIUM PHARMA INC. (CA) | 2017-11-23 | — | — | WO | disclosed |